SCHEMBL7412697

SCHEMBL7412697

O=C1c2c(c3ccccc3[nH]c2=O)C(=O)N1c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 5/20 0.42
PDE10A Q9Y233 1/20 0.42
TNKS O95271 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
PARP1 P09874 1/20 0.42
GPR3 P46089 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
PARP15 Q460N3 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
USP2 O75604 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7415475 0.88 MAPT (0.49) ADORA3KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL7407990 0.85 MAPK14 (0.53) ADORA3KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL7409290 0.82 MAPK14 (0.53) KMT2AMEN1ALDH1A1HSD17B10KDM4E
SCHEMBL7410394 0.82 ADORA3 (0.54) ADORA3KMT2AMEN1ALDH1A1KDM4E
SCHEMBL7415495 0.77 KDM4E (0.40) ADORA3KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL7415160 0.76 ADORA3 (0.54) ADORA3KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL7414758 0.76 HTT (0.54) HSD17B10KDM4EPARP1MAPTGAA
SCHEMBL7418663 0.76 ADORA3 (0.54) ADORA3KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL7413449 0.74 ADORA3 (0.56) ADORA3KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL7416744 0.73 PARP1 (0.49) KMT2AMEN1ALDH1A1HSD17B10KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994026741-A1 CERTAIN PYRROLOQUINOLINONES; A NEW CLASS OF GABE BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1994-11-24 WO claimed
US-5243049-A Gamma-aminobutyric acid antagonist NEUROGEN CORPORATION (US) 1993-09-07 US claimed
US-5908932-A Certain pyrroloquinolinones; a new class of GABA brain receptor NEUROGEN CORPORATION (US) 1999-06-01 US disclosed
US-5604235-A DIAGNOSIS AND TREATMENT OF ANXIETY, SLEEP AND SEIZURE DISORDERS, BENZODIAZEPINE OVERDOSE; ENHANCEMENT OF MEMORY NEUROGEN CORPORATION (US) 1997-02-18 US disclosed
WO-1994026741-A1 CERTAIN PYRROLOQUINOLINONES; A NEW CLASS OF GABE BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1994-11-24 WO disclosed
US-5243049-A Gamma-aminobutyric acid antagonist NEUROGEN CORPORATION (US) 1993-09-07 US disclosed